SCHEMBL12083836

SCHEMBL12083836

Cc1nc(-c2ncccn2)ncc1C(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.61
▸ HCRTR1 O43613 1/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.32
▸ AR P10275 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ GRM4 Q14833 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12083895 0.92 HPGDS (0.73) HPGDSGRM4
SCHEMBL12083882 0.90 HPGDS (0.55) HPGDSMAPK14
SCHEMBL12083903 0.88 HPGDS (0.53) HPGDS
SCHEMBL14312635 0.86 HPGDS (0.44) HPGDSAR
SCHEMBL12083884 0.84 HPGDS (0.82) HPGDSHCRTR1GRM4KDM4ESMN1; SMN2
SCHEMBL12083846 0.84 HPGDS (0.76) HPGDSGRM4
SCHEMBL12083747 0.82 HPGDS (0.56) HPGDS
SCHEMBL12084139 0.80 HPGDS (0.81) HPGDS
SCHEMBL12083904 0.79 HPGDS (0.61) HPGDS
SCHEMBL14312957 0.79 HPGDS (0.55) HPGDSKDM4ESMN1; SMN2HTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885HCRTR1 533/4885PTGDR2 92/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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